Description

4-[trans-4-(Trans-4-pentylcyclohexyl)cyclohexyl]benzonitrile (CAS: 85547-03-1) is a high-purity liquid crystalline compound with the molecular formula C₂₄H₃₅N. This advanced organic material is synthesized for research and industrial applications requiring precise molecular alignment and electro-optical properties. Its rigid bicyclohexyl core and polar benzonitrile moiety make it ideal for liquid crystal displays (LCDs), optical devices, and advanced material science studies. The compound exhibits excellent thermal stability, low viscosity, and high birefringence, meeting stringent quality standards for electronic and photonic applications. Packaged under inert conditions to ensure stability, it is available in quantities ranging from milligrams to kilograms for laboratory and production-scale use.

Properties

• CAS Number: 85547-03-1
• Complexity: 409
• IUPAC Name: 4-[4-(4-pentylcyclohexyl)cyclohexyl]benzonitrile
• InChI: InChI=1S/C24H35N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h8-9,12-13,19,21,23-24H,2-7,10-11,14-17H2,1H3
• InChI Key: NYIIMCUQDTTYJB-UHFFFAOYSA-N
• Exact Mass: 337.276950121
• Molecular Formula: C24H35N
• Molecular Weight: 337.5
• SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C#N
• Topological: 23.8
• Monoisotopic Mass: 337.276950121
• Synonyms: 85547-03-1, 4-(4′-Pentyl-[1,1′-bi(cyclohexan)]-4-yl)benzonitrile, 4-[trans-4-(Trans-4-pentylclohexyl) cyclohexyl]benzonetrile, 4-[(trans,trans)-4′-Pentyl[1,1′-bicyclohexyl]-4-yl]-benzonitrile, 498530-91-9, SCHEMBL4799347, SCHEMBL4799365, SCHEMBL4799371, SCHEMBL10660513, Benzonitrile, 4-(4′-pentyl[1,1′-bicyclohexyl]-4-yl)-, DTXSID90389270, NYIIMCUQDTTYJB-UHFFFAOYSA-N, SB66509, 4-(1′-pentyl-4,4′-bicyclohexyl)-benzonitrile, F16525, AG-690/11960672, 4-[4′-Pentyl-1,1′-bi(cyclohexyl)-4-yl]benzonitrile, 4-((1’s,4’r)-4′-Pentylbi(cyclohexan)-4-yl)benzonitrile

Application

This compound is primarily used as a component in nematic liquid crystal mixtures for high-performance LCDs, enhancing response times and contrast ratios. It serves as a key intermediate in the synthesis of advanced electro-optical materials for tunable lenses and phase modulators. Researchers also utilize it in studies of molecular self-assembly and anisotropic organic systems.

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